NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9919 8.3549 109.7410 45.7326 0.0000 172.8076 5 S 4.4606 8.5556 113.5110 59.5963 63.5548 174.7905 6 R 3.9395 8.3594 120.6813 59.4321 30.8532 177.5837 7 R 3.6710 7.9516 116.7282 58.9215 29.9540 176.3106 8 Y 4.5143 8.0750 112.7420 57.4988 38.2152 174.7327 9 D 4.6164 7.7240 121.1929 53.5940 41.4237 176.6458 10 S 4.1432 8.7415 123.0871 59.5105 64.1168 174.1037 11 R 3.8060 8.6637 120.0289 57.1959 26.9494 177.2194 12 T 4.1248 7.7835 107.0646 63.6378 69.5964 175.5322 13 T 4.5280 7.2343 112.2421 61.3674 69.5879 173.6397 14 I 4.4350 7.4975 113.6983 59.9734 40.6431 174.4355 15 F 4.8365 8.3794 119.6999 56.7219 40.0832 176.0472 16 S 4.5306 8.6315 118.8603 56.4502 64.1439 173.6131 17 P 4.5031 0.0000 0.0000 65.2605 31.0321 177.4155 18 E 4.1966 8.1208 115.5605 55.9004 29.7454 175.9538 19 G 3.5206 8.2405 107.1158 47.0512 0.0000 173.9543 20 R 4.6305 7.8722 116.5867 53.7055 33.6935 175.8427 21 L 4.6930 8.0753 120.4407 54.1744 42.1073 177.1839 22 Y 3.5712 7.3291 119.9997 61.4196 37.8017 178.8003 23 Q 3.9460 7.9971 117.8527 59.1813 28.9671 179.4303 24 V 3.5648 7.6249 118.4363 66.1381 31.7863 177.7068 25 E 3.9643 8.1212 118.2466 59.7989 29.3070 179.0353 26 Y 4.5192 8.2051 116.6467 60.7250 37.8558 178.0281 27 A 4.0759 8.5018 122.5720 55.0298 18.4428 179.6193 28 L 3.9266 8.2162 117.7397 57.9252 41.4703 179.2362 29 E 3.9143 7.8664 117.8747 59.3186 29.7896 178.6297 30 S 4.2925 8.0267 113.0633 61.5416 62.4427 176.0947 31 I 3.7179 8.0371 123.1246 64.3808 36.6159 178.3555 32 S 4.1261 8.0879 113.8834 60.7454 62.7022 174.6329 33 H 4.7063 7.7373 117.7912 55.4277 28.9811 174.7736 34 A 4.4098 7.8902 123.4842 50.6014 19.5028 177.9009 35 G 4.0417 8.4929 108.1674 45.5863 0.0000 173.6460 36 T 4.2047 8.4448 119.1931 63.3214 69.8369 173.1944 37 A 5.1429 8.5188 126.1523 50.2086 22.0603 175.3169 38 I 4.6046 9.4120 122.6793 59.3224 41.1689 174.9052 39 G 4.4379 8.6917 111.9338 44.5324 0.0000 171.8341 40 I 4.7100 8.8838 125.7728 59.6499 40.9196 173.9781 41 M 4.7755 8.8416 126.7673 54.0403 33.3163 175.0711 42 A 4.7686 8.8428 129.6682 49.9116 21.8348 176.3967 43 S 4.2997 8.6672 113.6183 60.8588 63.0652 175.0355 44 D 4.8550 9.1407 118.4601 50.5910 39.6651 176.0257 45 G 4.1316 6.8747 108.2159 45.9246 0.0000 171.3953 46 I 5.0812 7.6321 119.0609 59.3434 40.9003 175.5547 47 V 4.5015 8.9320 124.8172 61.0715 34.5587 174.2251 48 L 5.2791 8.5932 126.0733 52.9552 44.6055 175.6910 49 A 4.8543 9.1082 124.8622 50.1550 22.5105 174.5466 50 A 5.0813 8.4842 121.6718 50.2880 22.9411 174.7972 51 E 4.5034 8.9420 121.5481 54.3215 31.4979 175.7531 52 R 4.0324 8.5727 126.8107 55.9581 30.7339 175.9905 53 K 4.1100 8.7359 124.4777 56.4193 33.1381 173.4618 54 V 3.1486 8.5264 129.2553 63.0490 32.0289 171.5930 55 T 4.6522 8.0066 114.1498 60.8045 71.7797 172.0784 56 S 4.7099 8.1132 115.0084 56.5871 65.9011 174.7279 57 T 3.8964 8.5629 119.9083 66.7410 68.1533 175.9596 58 L 4.1779 7.7471 118.3457 55.7642 42.1100 176.9888 59 L 3.9091 7.3487 121.5667 54.8299 42.2909 176.3813 60 E 4.2101 8.5558 127.2061 55.3503 28.5974 175.5765 61 Q 4.1217 8.4495 128.5303 58.6326 29.8152 178.0279 62 D 4.2998 8.2443 117.0755 57.7775 40.8356 177.3219 63 T 4.2624 7.7755 111.5872 63.7293 68.7406 174.5688 63A S 4.6048 7.2117 116.4220 57.6172 63.6803 173.6311 64 T 4.0681 7.8046 116.5462 63.2187 71.7188 173.2473 65 E 4.8778 8.5738 120.6607 55.0644 31.9769 175.6583 66 K 4.5633 7.7459 116.5598 56.6750 36.6248 175.6317 67 L 5.0421 7.6504 119.3491 53.1587 43.5259 175.8366 68 Y 4.7936 8.8331 121.6371 55.8533 41.8259 174.9731 69 K 4.2196 8.7810 124.1718 55.6301 33.2614 176.0197 70 L 4.3337 8.6565 126.1506 56.2930 42.5983 175.3494 71 N 5.0671 7.9072 113.8083 52.2856 41.8104 172.8062 72 D 4.6664 8.6747 115.7773 55.3671 41.5838 177.0524 73 K 4.7258 7.9442 116.6736 55.8940 34.5569 175.4648 74 I 5.2659 7.6448 120.7448 59.6288 41.5797 174.0224 75 A 5.2018 9.0058 126.6129 50.5252 23.2917 175.0805 76 V 4.9319 8.8617 111.1414 59.5124 36.4159 174.6311 77 A 5.2210 8.8492 124.6623 50.3008 21.4241 175.6213 78 V 4.5629 9.1811 123.2099 61.3366 33.9266 175.5729 79 A 4.3099 9.1635 127.6942 53.6899 21.3704 174.5930 80 G 3.6861 8.6482 112.1673 45.3182 0.0000 172.0405 81 L 4.0397 8.3358 124.8388 55.1804 41.7665 177.8296 82 T 3.8909 8.8807 121.5216 66.7807 68.4194 176.1937 83 A 3.9949 8.0318 121.8809 55.3376 18.4073 179.2112 84 D 4.4299 8.1417 116.5914 57.3823 40.9634 178.5897 85 A 3.9980 8.0789 121.1876 55.4109 18.3631 179.3699 86 E 3.6652 8.2821 117.1608 59.5648 29.3689 179.7353 87 I 3.6758 7.5503 119.1793 64.5694 37.2716 178.5544 88 L 3.8313 7.5946 119.1852 57.5914 41.2771 179.6541 89 I 3.4947 8.2879 120.1907 64.2119 37.0330 177.9379 90 N 4.2455 8.2538 118.2160 56.9787 38.7749 177.0575 91 T 3.9019 7.7244 110.6978 64.6325 68.8232 176.3286 92 A 3.9522 7.9765 123.7097 55.0813 18.2603 179.8138 93 R 3.9020 8.1718 116.8814 59.3221 30.0253 179.4531 94 I 3.7259 7.8657 119.6517 64.7075 37.2554 177.8143 95 H 4.1875 8.5098 119.0003 59.3832 29.5467 177.0790 96 A 3.9693 7.9853 122.3044 55.2527 18.1590 179.6638 97 Q 4.0575 7.9110 116.6809 58.9051 28.7832 178.5495 98 N 4.3560 8.4870 117.9604 56.3025 38.4879 176.6900 99 Y 3.9770 7.9801 120.7553 60.6306 38.8338 177.9974 100 L 4.3993 8.0226 122.5210 57.7219 42.0500 178.9229 101 K 3.9081 8.2739 118.5062 59.2649 32.0881 178.6408 102 T 3.8611 7.4532 115.4648 65.8241 68.7351 175.7741 103 Y 4.4832 7.5450 114.6634 56.4224 39.1237 175.1739 104 N 4.3609 8.3863 116.7309 53.5334 37.0659 173.9875 105 E 4.8308 7.6926 114.0900 54.8530 34.0066 175.1252 106 D 4.6107 8.5839 122.2088 53.9579 41.6106 176.2560 107 I 2.8674 8.1486 123.0717 59.8348 38.5759 174.6260 108 P 4.1924 0.0000 0.0000 62.1042 32.9266 177.0340 109 V 3.4809 8.1893 122.4566 66.4975 31.3917 178.1499 110 E 3.7883 8.0035 117.9865 59.2631 29.4327 178.5639 111 I 3.5833 7.5160 119.3145 64.2603 37.2297 177.9942 112 L 3.9000 7.4395 121.2045 58.0436 41.9179 179.1539 113 V 2.9207 7.5160 118.1769 65.6841 31.2696 177.9428 114 R 3.7938 8.4064 118.7601 59.2744 29.9524 178.3331 115 R 3.8095 7.8450 118.4640 59.4851 29.9655 178.1824 116 L 3.9398 7.7463 119.8533 58.3926 41.9705 179.1637 117 S 4.2476 8.2706 115.0872 61.5909 62.7005 176.3994 118 D 4.3835 8.3818 122.1111 57.2144 40.2811 178.7737 119 I 3.8242 7.5333 119.6387 64.2827 37.3089 178.3420 120 K 4.2703 7.9141 119.1688 59.6829 31.9718 178.9471 121 Q 4.1304 8.4952 120.1830 59.3135 28.7910 179.0002 122 G 3.6527 8.1453 106.5154 48.0783 0.0000 174.9024 123 Y 4.0472 8.0504 115.9563 59.3695 37.8110 177.4808 124 T 4.3017 7.7224 116.6622 64.1100 69.4942 175.0140 125 Q 4.4245 7.5986 119.5263 56.1816 30.6568 174.4238 126 H 4.6251 7.6906 110.2688 55.6158 30.4534 173.4366 127 G 3.8154 8.9537 108.7544 44.3075 0.0000 175.1154 128 G 3.9556 7.8642 105.7462 46.2715 0.0000 173.2255 129 L 4.6554 6.9145 119.0924 52.2343 43.7187 176.7617 130 R 4.1278 8.1224 116.8224 55.3101 30.1626 174.7305 131 P 4.5094 0.0000 0.0000 62.0791 32.2427 175.8075 132 F 4.3525 8.4453 118.5563 57.3721 40.1024 177.4223 133 G 4.0335 9.0608 115.2852 44.8615 0.0000 172.8342 134 V 4.8282 7.2308 117.9526 61.5365 35.8080 174.8655 135 S 4.6124 8.4149 121.4440 56.6954 66.5512 173.0308 136 F 5.3566 8.7546 121.9012 55.6802 42.1129 174.6791 137 I 4.5077 8.3239 122.3778 59.9071 39.5488 174.0769 138 Y 4.9869 8.8956 124.7066 56.3602 39.9430 175.3197 139 A 4.6349 9.5016 125.8629 50.2725 21.4477 174.9670 140 G 4.4629 8.5403 107.0154 45.8258 0.0000 169.5070 141 Y 4.9626 8.7113 120.2924 55.8953 41.6609 174.0215 142 D 4.6242 7.4986 124.2068 51.5331 42.5620 174.8749 143 D 4.4689 8.5195 117.0814 53.8709 39.1670 176.3409 144 R 4.0898 8.3826 126.3011 56.7838 30.1361 175.2315 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 G 8.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.56 4.46 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.36 3.94 0.00 1.83 1.95 0.00 3.16 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 7 R 7.95 3.67 0.00 1.51 1.20 0.00 2.21 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.35 0.00 8 Y 8.07 4.51 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.72 4.62 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.74 4.14 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.66 3.81 0.00 2.00 1.95 0.00 3.12 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 12 T 7.78 4.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 T 7.23 4.53 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 14 I 7.50 4.44 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.92 0.00 0.00 15 F 8.38 4.84 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.63 4.53 0.00 3.63 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.50 0.00 2.09 2.18 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 18 E 8.12 4.20 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 19 G 8.24 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.87 4.63 0.00 1.66 1.67 0.00 3.05 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 21 L 8.08 4.69 0.00 1.59 1.49 0.81 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.33 3.57 0.00 2.87 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.00 3.95 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 24 V 7.62 3.56 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.91 0.00 0.00 25 E 8.12 3.96 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 26 Y 8.21 4.52 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.50 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.22 3.93 0.00 1.91 1.75 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.87 3.91 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 30 S 8.03 4.29 0.00 4.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.04 3.72 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.76 0.93 0.00 0.00 32 S 8.09 4.13 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.74 4.71 0.00 3.19 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.89 4.41 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.49 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.44 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 37 A 8.52 5.14 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.41 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.92 0.00 0.00 39 G 8.69 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.88 4.71 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.92 0.00 0.00 41 M 8.84 4.78 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 8.84 4.77 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.67 4.30 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 9.14 4.85 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 6.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.63 5.08 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.97 0.00 0.00 47 V 8.93 4.50 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 48 L 8.59 5.28 0.00 1.52 1.53 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.11 4.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.48 5.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.94 4.50 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 52 R 8.57 4.03 0.00 1.83 1.94 0.00 3.24 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 53 K 8.74 4.11 0.00 1.72 1.71 0.00 2.02 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 V 8.53 3.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.01 4.65 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56 S 8.11 4.71 0.00 3.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.56 3.90 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 58 L 7.75 4.18 0.00 1.61 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.35 3.91 0.00 1.60 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.56 4.21 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 61 Q 8.45 4.12 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.46 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 62 D 8.24 4.30 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.78 4.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 63A S 7.21 4.60 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.80 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 65 E 8.57 4.88 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 66 K 7.75 4.56 0.00 1.62 1.80 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 67 L 7.65 5.04 0.00 1.35 1.48 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.83 4.79 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.78 4.22 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.47 7.81 70 L 8.66 4.33 0.00 1.82 1.68 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.91 5.07 0.00 2.62 2.79 0.00 0.00 7.29 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.67 4.67 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.94 4.73 0.00 1.72 2.03 0.00 1.68 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 74 I 7.64 5.27 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.97 0.00 0.00 75 A 9.01 5.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.86 4.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.89 0.00 0.00 77 A 8.85 5.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 9.18 4.56 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.28 0.00 0.00 79 A 9.16 4.31 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.65 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.34 4.04 0.00 1.69 1.66 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.88 3.89 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 83 A 8.03 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.14 4.43 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.08 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.28 3.67 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.44 0.00 87 I 7.55 3.68 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 1.00 0.00 0.00 88 L 7.59 3.83 0.00 1.90 1.66 0.52 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.29 3.49 1.77 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.74 0.00 0.00 90 N 8.25 4.25 0.00 2.79 2.92 0.00 0.00 7.01 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.72 3.90 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 92 A 7.98 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.17 3.90 0.00 2.02 1.99 0.00 3.11 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 94 I 7.87 3.73 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.94 0.00 0.00 95 H 8.51 4.19 0.00 3.23 3.48 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.99 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 7.91 4.06 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 98 N 8.49 4.36 0.00 2.82 2.90 0.00 0.00 6.56 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.98 3.98 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.02 4.40 0.00 1.92 1.86 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.27 3.91 0.00 1.81 1.91 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 102 T 7.45 3.86 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 103 Y 7.55 4.48 0.00 2.53 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.39 4.36 0.00 2.83 2.88 0.00 0.00 6.72 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.69 4.83 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 106 D 8.58 4.61 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.15 2.87 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.77 0.00 0.00 108 P 0.00 4.19 0.00 1.98 1.80 0.00 2.86 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 109 V 8.19 3.48 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.89 0.00 0.00 110 E 8.00 3.79 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 111 I 7.52 3.58 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.32 0.81 0.00 0.00 112 L 7.44 3.90 0.00 1.51 1.67 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.52 2.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 -0.18 0.00 0.00 114 R 8.41 3.79 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 115 R 7.84 3.81 0.00 2.00 2.05 0.00 3.14 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.55 0.00 116 L 7.75 3.94 0.00 1.92 1.72 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.27 4.25 0.00 4.06 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.38 4.38 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.53 3.82 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.98 0.00 0.00 120 K 7.91 4.27 0.00 2.01 1.95 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.56 7.81 121 Q 8.50 4.13 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 122 G 8.15 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.05 4.05 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.72 4.30 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 125 Q 7.60 4.42 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 126 H 7.69 4.63 0.00 3.17 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 6.91 4.66 0.00 1.74 1.61 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.12 4.13 0.00 1.90 1.92 0.00 3.01 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 131 P 0.00 4.51 0.00 2.08 2.09 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 132 F 8.45 4.35 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.23 4.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.81 0.00 0.00 135 S 8.41 4.61 0.00 3.70 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.75 5.36 0.00 2.34 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.32 4.51 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.95 0.00 0.00 138 Y 8.90 4.99 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 9.50 4.63 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.54 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.71 4.96 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.50 4.62 0.00 2.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.52 4.47 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.38 4.09 0.00 1.62 1.82 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00